1.0 2020-03-26 02:59:28 UTC 2020-04-22 19:33:15 UTC BMDB0101993 TG(14:1(9Z)/22:0/16:1(9Z)) 1-(9Z-Tetradecenoyl)-2-docosanoyl-3-(9Z-hexadecenoyl)-glycerol 1-Myristoleoyl-2-behenoyl-3-palmitoleoyl-glycerol TAG(14:1/22:0/16:1) TAG(52:2) TG(14:1/22:0/16:1) TG(52:2) Tracylglycerol(14:1/22:0/16:1) Tracylglycerol(52:2) Triacylglycerol Triglyceride TG(14:1(9Z)/22:0/16:1(9Z)) C55H102O6 859.415 858.767641004 (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl docosanoate (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl docosanoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,20,23,52H,4-14,16-17,19,21-22,24-51H2,1-3H3/b18-15-,23-20-/t52-/m0/s1 MMJCPUXJTDXUGX-YKGLDBJZSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.76 ALOGPS logs -8.05 ALOGPS logp 19.98 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl docosanoate ChemAxon average_mass 859.415 ChemAxon mono_mass 858.767641004 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C55H102O6 ChemAxon inchi InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-23-20-17-14-11-8-5-2/h15,18,20,23,52H,4-14,16-17,19,21-22,24-51H2,1-3H3/b18-15-,23-20-/t52-/m0/s1 ChemAxon inchikey MMJCPUXJTDXUGX-YKGLDBJZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 261.93 ChemAxon polarizability 114.77 ChemAxon rotatable_bond_count 52 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 667468 Specdb::MsMs 667469 Specdb::MsMs 667470 Specdb::MsMs 963532 Specdb::MsMs 963533 Specdb::MsMs 963534 Specdb::MsMs 2575102 Specdb::MsMs 2575103 Specdb::MsMs 2575104 Specdb::MsMs 2665414 Specdb::MsMs 2665415 Specdb::MsMs 2665416 Specdb::MsMs 2783017 Specdb::MsMs 2783018 Specdb::MsMs 2783019 Specdb::MsMs 2798792 Specdb::MsMs 2798793 Specdb::MsMs 2798794 Specdb::MsMs 2883629 Specdb::MsMs 2883630 Specdb::MsMs 2883631 131758682